N-[3-(furan-2-yl)propyl]-1-{2-methylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-amine

• ChemBase ID: 488413
• Molecular Formular: C19H24N4OS
• Molecular Mass: 356.48506
• Monoisotopic Mass: 356.16708241
• SMILES: c1(c2c(nc(n1)C)scc2)N1CCC(CC1)NCCCc1occc1
• Canonical SMILES: Cc1nc(N2CCC(CC2)NCCCc2ccco2)c2c(n1)scc2
• InChI: InChI=1S/C19H24N4OS/c1-14-21-18(17-8-13-25-19(17)22-14)23-10-6-15(7-11-23)20-9-2-4-16-5-3-12-24-16/h3,5,8,12-13,15,20H,2,4,6-7,9-11H2,1H3
• InChIKey: GGSSFFROLMKFLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-1-{2-methylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-amine
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-1-{2-methylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-amine
• Synonyms: N-[3-(2-furyl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.09743535
• LogD (pH = 7.4): 0.8912937
• Log P: 3.5529466
• Molar Refractivity: 102.0514 cm^3
• Polarizability: 38.866814 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.6
• LOG S: -3.01
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 6